| SpectraBase Compound ID | ITZna5HQzXa |
|---|---|
| InChI | InChI=1S/C15H15ClOS3/c16-14-6-8-15(9-7-14)19-18-10-11-20(17)12-13-4-2-1-3-5-13/h1-9H,10-12H2 |
| InChIKey | TXVAUBZCJOOZPR-UHFFFAOYSA-N |
| Mol Weight | 342.92 g/mol |
| Molecular Formula | C15H15ClOS3 |
| Exact Mass | 341.997356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlxuKcWX5Rp |
|---|---|
| Name | 2-Benzylsulfinylethyl p-chlorophenyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.997356324 u |
| Formula | C15H15ClOS3 |
| InChI | InChI=1S/C15H15ClOS3/c16-14-6-8-15(9-7-14)19-18-10-11-20(17)12-13-4-2-1-3-5-13/h1-9H,10-12H2 |
| InChIKey | TXVAUBZCJOOZPR-UHFFFAOYSA-N |
| Molecular Weight | 342.917 g/mol |
| SMILES | C1=C(C=CC=C1)CS(=O)CCSSC1=CC=C(Cl)C=C1 |